2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide

C13H19N3O3 — CID 112510933

IUPAC2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)C(C)N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(14)13(18)16-15-12(17)8-5-10-3-6-11(19-2)7-4-10/h3-4,6-7,9H,5,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHVCRYRVNCGPUSH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.12
Rot. Bonds5

About 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide

2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide (PubChem CID 112510933) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
PubChem CID112510933
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)C(C)N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(14)13(18)16-15-12(17)8-5-10-3-6-11(19-2)7-4-10/h3-4,6-7,9H,5,8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHVCRYRVNCGPUSH-UHFFFAOYSA-N
XLogP0.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide (CID 112510933) is 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide is COc1ccc(CCC(=O)NNC(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide?
The InChIKey is HVCRYRVNCGPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(14)13(18)16-15-12(17)8-5-10-3-6-11(19-2)7-4-10/h3-4,6-7,9H,5,8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide?
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide has a molecular weight of 265.31 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 112510933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).